Transport Properties of Double Quantum Dots Formed by Ferrocene Units
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- 作者：Guiling Zhang ; Dong Li ; Yan Shang ; Hui Zhang ; Miao Sun ; Bo Liu ; Zesheng Li
- 刊名：Journal of Physical Chemistry C
- 出版年：2011
- 出版时间：April 7, 2011
- 年：2011
- 卷：115
- 期：13
- 页码：5257-5264
- 全文大小：1025K
- 年卷期：v.115,no.13(April 7, 2011)
- ISSN：1932-7455
文摘
Combining nonequilibrium Green鈥檚 function technique with density functional theory, the transport properties of a series of double quantum dots formed by ferrocene dimers with saturated carbon bridges and saturated silicon bridges, [Fc鈭?CH2)n]2 and [Fc鈭?SiH2)n]2 (n = 1,2,3), were comparatively studied. We have found that the type and the length of the bridge group between two adjacent ferrocene units plays an important role in governing the transport property. The negative differential resistance is enhanced with the lengthening of the space linker, i.e., the NDR magnitude follows the sequence of [Fc鈭?CH2)3]2 > [Fc鈭?CH2)2]2 > [Fc鈭扖H2]2 and [Fc鈭?SiH2)3]2 > [Fc鈭?SiH2)2]2 > [Fc鈭扴iH2]2. For the short bridged systems (n = 1,2), the conductivity of molecules with the carbon linkage is higher than that with the silicon linkage, that is, [Fc鈭扖H2]2 > [Fc鈭扴iH2]2 and [Fc鈭?CH2)2]2 > [Fc鈭?SiH2)2]2. In addition, [Fc鈭扴iH2] presents a rectifier effect. The effect of the bridge on the transport property could be interpreted from the bonding, the molecular level state, the transmission spectrum, and the density of states.